2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide

C10H22N4O2S2 — CID 114815280

IUPAC2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide
SMILESCC(C)CNS(=O)(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C10H22N4O2S2/c1-9(2)7-12-18(15,16)14-5-3-13(4-6-14)8-10(11)17/h9,12H,3-8H2,1-2H3,(H2,11,17)
InChIKeyOADHCNOPJLXBLP-UHFFFAOYSA-N
MW294.45 g/mol
LogP-0.62
Rot. Bonds6

About 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide

2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide (PubChem CID 114815280) has the molecular formula C10H22N4O2S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide
PubChem CID114815280
Molecular FormulaC10H22N4O2S2
Molecular Weight294.45 g/mol
Exact Mass294.12
IUPAC Name2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide
SMILESCC(C)CNS(=O)(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C10H22N4O2S2/c1-9(2)7-12-18(15,16)14-5-3-13(4-6-14)8-10(11)17/h9,12H,3-8H2,1-2H3,(H2,11,17)
InChIKeyOADHCNOPJLXBLP-UHFFFAOYSA-N
XLogP-0.62
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide
CID 114813812
ethyl N-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]sulfonylcarbamate
CID 114463635
2-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 79594381
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide
CID 63336256
2-(4-acetylpiperazin-1-yl)ethanethioamide
CID 24705741
2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide
CID 114813390
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63336297
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194
2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide
CID 114808399
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63336209
4-amino-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114813739

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide?
The IUPAC name of 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide (CID 114815280) is 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide is CC(C)CNS(=O)(=O)N1CCN(CC(N)=S)CC1.
What is the InChIKey of 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide?
The InChIKey is OADHCNOPJLXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S2/c1-9(2)7-12-18(15,16)14-5-3-13(4-6-14)8-10(11)17/h9,12H,3-8H2,1-2H3,(H2,11,17).
What are the key properties of 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide?
2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide has a molecular weight of 294.45 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide is sourced from PubChem (CID 114815280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).